6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C14H24N2S — CID 163434616

IUPAC6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCN=C(NC2CCCC3(CCC3)C2)S1
InChIInChI=1S/C14H24N2S/c1-11-5-9-15-13(17-11)16-12-4-2-6-14(10-12)7-3-8-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyATJSKFOUKULUFB-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.57
Rot. Bonds1

About 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 163434616) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID163434616
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CCN=C(NC2CCCC3(CCC3)C2)S1
InChIInChI=1S/C14H24N2S/c1-11-5-9-15-13(17-11)16-12-4-2-6-14(10-12)7-3-8-14/h11-12H,2-10H2,1H3,(H,15,16)
InChIKeyATJSKFOUKULUFB-UHFFFAOYSA-N
XLogP3.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 163434616) is 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CCN=C(NC2CCCC3(CCC3)C2)S1.
What is the InChIKey of 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ATJSKFOUKULUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-5-9-15-13(17-11)16-12-4-2-6-14(10-12)7-3-8-14/h11-12H,2-10H2,1H3,(H,15,16).
What are the key properties of 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-spiro[3.5]nonan-8-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 163434616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).